SCHEMBL754096

SCHEMBL754096

CCOC(=O)c1cc(Nc2cc[nH]n2)n(-c2cc([S+](C)[O-])nc(C)n2)n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.34
MPO P05164 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CA9 Q16790 2/20 0.33
SLC34A1 Q06495 1/20 0.32
MAPT P10636 2/20 0.32
CHRNA7 P36544 2/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7888556 0.85 MPO (0.41) SLC2A1MPOGAAKMT2ACA9
SCHEMBL754183 0.84 SLC2A1 (0.35) SLC2A1MPOGAAKMT2ASLC34A1
SCHEMBL754936 0.76 L3MBTL1 (0.33) MPOKDM4E
SCHEMBL755677 0.73 ALDH1A1 (0.31)
SCHEMBL7890083 0.69 SPR (0.36) KDM4E
SCHEMBL751760 0.66 ALOX15 (0.39) SLC2A1GAAKMT2AMAPTTP53
SCHEMBL2838354 0.61 KMT2A (0.60) GAAKMT2AMAPTTP53KDM4E
SCHEMBL561497 0.60 CYP1A2 (0.56) GAAKMT2ACA9MAPTTP53
SCHEMBL751945 0.59 KMT2A (0.38) MPOGAAKMT2ACA9MAPT
SCHEMBL1298569 0.57 MAPK1 (0.46) GAAKMT2AMAPTKDM4EHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP disclosed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD SLC2A1 3657/4885MPO 3572/4885GAA 684/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.